SCHEMBL3492007

SCHEMBL3492007

Cc1nnc(-c2ccc3occ(-c4cccc(C(F)(F)F)c4)c3c2)o1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.58
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NOTUM Q6P988 3/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
KCNA3 P22001 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3490397 0.89 GSK3B (0.66) GSK3BNPC1RAB9AKDM4ENOTUM
SCHEMBL3492891 0.85 GSK3B (0.61) GSK3BNOTUM
SCHEMBL3491285 0.84 GSK3B (0.55) GSK3BNPC1RAB9AKDM4EMAPT
SCHEMBL3492530 0.83 GSK3B (0.54) GSK3BNPC1RAB9AHTTKDM4E
SCHEMBL3490534 0.83 GSK3B (0.72) GSK3BNPC1
Methylamine SCHEMBL3491314 0.83 GSK3B (0.54) GSK3BNPC1RAB9AKDM4ENOTUM
SCHEMBL27418746 0.83 RAB9A (0.64) NPC1RAB9AHTTKDM4EMAPT
SCHEMBL3491706 0.83 GSK3B (0.61) GSK3BNPC1RAB9ANOTUMSMN1; SMN2
SCHEMBL3491126 0.83 GSK3B (0.53) GSK3BNPC1RAB9AHTTKDM4E
SCHEMBL3490942 0.81 GSK3B (0.59) GSK3BNPC1RAB9ANOTUMHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP GSK3B 1/4885NPC1 1571/4885RAB9A 3231/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.